REMARK  Name = BDB036428
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.684  -0.217   0.033  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -2.997   0.784   0.931  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -3.900   1.595   0.869  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -2.021   0.695   2.022  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -1.131  -0.342   1.733  0.00  0.00    -0.013 A 
ATOM      6  C   LIG    1       -0.106  -0.656   2.619  0.00  0.00    -0.025 A 
ATOM      7  C   LIG    1       -0.001   0.125   3.787  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -0.906   1.170   4.057  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -1.936   1.464   3.166  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -1.490  -0.954   0.416  0.00  0.00    +0.145 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       -6.181   2.366  -2.405  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -5.316   1.554  -2.082  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1       -5.661   0.332  -1.566  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -6.648   0.191  -1.410  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -4.835  -0.653  -1.082  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -5.301  -1.629  -0.495  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -3.328  -0.437  -1.256  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1       -3.001   0.603  -2.324  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -3.843   1.861  -2.212  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   6  20
ATOM     20  C   LIG    1        0.876  -1.761   2.344  0.00  0.00    +0.140 C 
BRANCH  20  21
ATOM     21  N   LIG    1        1.963  -1.289   1.516  0.00  0.00    -0.307 N 
ATOM     22  H   LIG    1        2.508  -0.516   1.870  0.00  0.00    +0.149 HD
ATOM     23  C   LIG    1        2.071  -1.641   0.189  0.00  0.00    +0.244 C 
ATOM     24  O   LIG    1        1.284  -2.390  -0.379  0.00  0.00    -0.270 OA
BRANCH  23  25
ATOM     25  C   LIG    1        3.192  -1.016  -0.570  0.00  0.00    +0.039 A 
ATOM     26  C   LIG    1        4.402  -0.679   0.065  0.00  0.00    +0.040 A 
ATOM     27  C   LIG    1        5.391  -0.099  -0.738  0.00  0.00    +0.067 A 
ATOM     28  C   LIG    1        5.226   0.144  -2.099  0.00  0.00    +0.089 A 
ATOM     29  N   LIG    1        6.351   0.722  -2.632  0.00  0.00    -0.236 NA
ATOM     30  C   LIG    1        7.195   0.825  -1.632  0.00  0.00    +0.197 A 
ATOM     31  C   LIG    1        4.021  -0.209  -2.720  0.00  0.00    +0.030 A 
ATOM     32  N   LIG    1        6.664   0.339  -0.471  0.00  0.00    -0.344 N 
ATOM     33  H   LIG    1        7.130   0.310   0.424  0.00  0.00    +0.167 HD
ATOM     34  C   LIG    1        3.011  -0.796  -1.944  0.00  0.00    +0.015 A 
ENDBRANCH  23  25
ENDBRANCH  20  21
ENDBRANCH   6  20
TORSDOF 4